(4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone

C19H31N3O2 — CID 155207949

IUPAC(4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cnn(C2CCN(C(=O)C3(C)CCOCC3)CC2)c1
InChIInChI=1S/C19H31N3O2/c1-15(2)12-16-13-20-22(14-16)17-4-8-21(9-5-17)18(23)19(3)6-10-24-11-7-19/h13-15,17H,4-12H2,1-3H3
InChIKeyDCLMQGVRZACSHT-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.06
Rot. Bonds4

About (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone

(4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 155207949) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID155207949
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cnn(C2CCN(C(=O)C3(C)CCOCC3)CC2)c1
InChIInChI=1S/C19H31N3O2/c1-15(2)12-16-13-20-22(14-16)17-4-8-21(9-5-17)18(23)19(3)6-10-24-11-7-19/h13-15,17H,4-12H2,1-3H3
InChIKeyDCLMQGVRZACSHT-UHFFFAOYSA-N
XLogP3.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 155207949) is (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone is CC(C)Cc1cnn(C2CCN(C(=O)C3(C)CCOCC3)CC2)c1.
What is the InChIKey of (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is DCLMQGVRZACSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)12-16-13-20-22(14-16)17-4-8-21(9-5-17)18(23)19(3)6-10-24-11-7-19/h13-15,17H,4-12H2,1-3H3.
What are the key properties of (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155207949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).